(4S)-2,4-dimethyloxane;ethene

C9H18O — CID 143417606

IUPAC(4S)-2,4-dimethyloxane;ethene
SMILESC=C.CC1C[C@@H](C)CCO1
InChIInChI=1S/C7H14O.C2H4/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H2/t6-,7?;/m0./s1
InChIKeyGUIYYPZWGZHBQL-OXIGJRIQSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds

About (4S)-2,4-dimethyloxane;ethene

(4S)-2,4-dimethyloxane;ethene (PubChem CID 143417606) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4S)-2,4-dimethyloxane;ethene.

Molecular Properties

Compound Name(4S)-2,4-dimethyloxane;ethene
PubChem CID143417606
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4S)-2,4-dimethyloxane;ethene
SMILESC=C.CC1C[C@@H](C)CCO1
InChIInChI=1S/C7H14O.C2H4/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H2/t6-,7?;/m0./s1
InChIKeyGUIYYPZWGZHBQL-OXIGJRIQSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
(2S,4S)-2,4-dimethyltetrahydro-2H-pyran
CID 643059
2H-Pyran, tetrahydro-2,4-dimethyl-, trans-
CID 643061
(2R,4R)-2,4-dimethyloxane
CID 13499612
2,3-Dimethyloxane
CID 21482439
(2R,3R)-2,3-dimethyloxane
CID 21679855
(2R,4S)-2,4-dimethyloxane
CID 21679857
2-Ethyl-4-methyloxane
CID 54230004
(2S,3S)-2,3-dimethyloxane
CID 58714689

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyloxane;ethene?
The IUPAC name of (4S)-2,4-dimethyloxane;ethene (CID 143417606) is (4S)-2,4-dimethyloxane;ethene.
What is the SMILES notation for (4S)-2,4-dimethyloxane;ethene?
The canonical SMILES for (4S)-2,4-dimethyloxane;ethene is C=C.CC1C[C@@H](C)CCO1.
What is the InChIKey of (4S)-2,4-dimethyloxane;ethene?
The InChIKey is GUIYYPZWGZHBQL-OXIGJRIQSA-N. The full InChI is InChI=1S/C7H14O.C2H4/c1-6-3-4-8-7(2)5-6;1-2/h6-7H,3-5H2,1-2H3;1-2H2/t6-,7?;/m0./s1.
What are the key properties of (4S)-2,4-dimethyloxane;ethene?
(4S)-2,4-dimethyloxane;ethene has a molecular weight of 142.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyloxane;ethene is sourced from PubChem (CID 143417606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).